imidazo[1,2-a]pyridin-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CN2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC2=NC(=CN2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H16N4O4S/c19-9-3-10-20-27(24,25)16-7-5-14(6-8-16)18(23)26-13-15-12-22-11-2-1-4-17(22)21-15/h1-2,4-8,11-12,20H,3,10,13H2